(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol

C10H13ClO3 — CID 10353281

IUPAC(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
SMILESCOc1ccc([C@@H](O)[C@H](C)O)cc1Cl
InChIInChI=1S/C10H13ClO3/c1-6(12)10(13)7-3-4-9(14-2)8(11)5-7/h3-6,10,12-13H,1-2H3/t6-,10-/m0/s1
InChIKeyAZXJGOGDICMETN-WKEGUHRASA-N
MW216.66 g/mol
LogP1.76
Rot. Bonds3

About (1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol

(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol (PubChem CID 10353281) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is (1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
PubChem CID10353281
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
SMILESCOc1ccc([C@@H](O)[C@H](C)O)cc1Cl
InChIInChI=1S/C10H13ClO3/c1-6(12)10(13)7-3-4-9(14-2)8(11)5-7/h3-6,10,12-13H,1-2H3/t6-,10-/m0/s1
InChIKeyAZXJGOGDICMETN-WKEGUHRASA-N
XLogP1.76
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid
CID 65026320
1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol
CID 61100359
1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
CID 10560966
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
2-(3-chloro-4-methoxyphenyl)-3-methylbutanal
CID 82081027
1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
CID 85213872
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009
1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol
CID 167489214
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol?
The IUPAC name of (1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol (CID 10353281) is (1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol.
What is the SMILES notation for (1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol?
The canonical SMILES for (1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol is COc1ccc([C@@H](O)[C@H](C)O)cc1Cl.
What is the InChIKey of (1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol?
The InChIKey is AZXJGOGDICMETN-WKEGUHRASA-N. The full InChI is InChI=1S/C10H13ClO3/c1-6(12)10(13)7-3-4-9(14-2)8(11)5-7/h3-6,10,12-13H,1-2H3/t6-,10-/m0/s1.
What are the key properties of (1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol?
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol has a molecular weight of 216.66 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 10353281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).